(4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide

C17H29N5O — CID 95220318

IUPAC(4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide
SMILESC[C@H](CCC(=O)Nc1cnc2n1CCCC2)N1CCN(C)CC1
InChIInChI=1S/C17H29N5O/c1-14(21-11-9-20(2)10-12-21)6-7-17(23)19-16-13-18-15-5-3-4-8-22(15)16/h13-14H,3-12H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyPCJRTBALFJMNNY-CQSZACIVSA-N
MW319.45 g/mol
LogP1.57
Rot. Bonds5

About (4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide

(4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide (PubChem CID 95220318) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is (4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide.

Molecular Properties

Compound Name(4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide
PubChem CID95220318
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name(4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide
SMILESC[C@H](CCC(=O)Nc1cnc2n1CCCC2)N1CCN(C)CC1
InChIInChI=1S/C17H29N5O/c1-14(21-11-9-20(2)10-12-21)6-7-17(23)19-16-13-18-15-5-3-4-8-22(15)16/h13-14H,3-12H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyPCJRTBALFJMNNY-CQSZACIVSA-N
XLogP1.57
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide?
The IUPAC name of (4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide (CID 95220318) is (4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide.
What is the SMILES notation for (4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide?
The canonical SMILES for (4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide is C[C@H](CCC(=O)Nc1cnc2n1CCCC2)N1CCN(C)CC1.
What is the InChIKey of (4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide?
The InChIKey is PCJRTBALFJMNNY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5O/c1-14(21-11-9-20(2)10-12-21)6-7-17(23)19-16-13-18-15-5-3-4-8-22(15)16/h13-14H,3-12H2,1-2H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide?
(4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide has a molecular weight of 319.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylpiperazin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentanamide is sourced from PubChem (CID 95220318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).